Abstract
The surface heterogeneity is more important than lateral interactions in the adsorption of solutions, which can be evaluated by two numerical methods known as CAEDMON and Regularization Procedure (RP). In the Caedmon method, the overall adsorption isotherm is calculated on the basis of an arbitrarily chosen distribution f(ɛ). CAEDMON and RP are extensively tested on simulated adsorption isotherm data corresponding with log-normal and bi-gaussian distribution functions. The quality of recalculated distribution functions is determined to a large extent by the following parameters: (1) the smoothing parameter, (2) the number of knot points, m, on the integration interval, and (3) the boundaries of the integration interval. Provided the overall isotherm and the local isotherm are known, the free energy distribution f (ɛ) can be determined most successfully with the RP method. Heterogeneity analysis from measured adsorption isotherms may be a powerful tool for the study of differences in f (ɛ) obtained for different adsorbate systems and surface treatments, such as activation or graphitization, followed by analyzing adsorption isotherms of a selected adsorbate system and monitoring the relative changes in f(ɛ).
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